N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine

C21H15F3N2S — CID 139236208

IUPACN-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccccc3s2)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H15F3N2S/c1-13-9-10-17(25-20-26-18-7-2-3-8-19(18)27-20)16(11-13)14-5-4-6-15(12-14)21(22,23)24/h2-12H,1H3,(H,25,26)
InChIKeyKVUJPLGUTLFQNK-UHFFFAOYSA-N
MW384.43 g/mol
LogP7.03
Rot. Bonds3

About N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine

N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine (PubChem CID 139236208) has the molecular formula C21H15F3N2S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine
PubChem CID139236208
Molecular FormulaC21H15F3N2S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccccc3s2)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H15F3N2S/c1-13-9-10-17(25-20-26-18-7-2-3-8-19(18)27-20)16(11-13)14-5-4-6-15(12-14)21(22,23)24/h2-12H,1H3,(H,25,26)
InChIKeyKVUJPLGUTLFQNK-UHFFFAOYSA-N
XLogP7.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 396813
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
4,6-Dimethyl-2-benzothiazolamine
CID 46372
Anilinobenzothiazole
CID 230981
6-Isopropyl-benzothiazol-2-ylamine
CID 600983
2-Amino-6-(trifluoromethyl)benzothiazole
CID 2735955
2-Benzothiazolamine, 4-(trifluoromethyl)-
CID 108937
Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-
CID 3001119
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine (CID 139236208) is N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine is Cc1ccc(Nc2nc3ccccc3s2)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is KVUJPLGUTLFQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2S/c1-13-9-10-17(25-20-26-18-7-2-3-8-19(18)27-20)16(11-13)14-5-4-6-15(12-14)21(22,23)24/h2-12H,1H3,(H,25,26).
What are the key properties of N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine?
N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 384.43 g/mol, XLogP of 7.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 139236208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).